#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va4 s THR 2 N 0.00 0.13 0.24 0.44 -4.23 -1.26 -0.83 115.64 110.14 1va4 s THR 2 Ca 0.00 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 1va4 s THR 2 Cb 0.00 -0.92 -0.05 0.00 1.34 0.00 0.00 72.50 72.88 1va4 s THR 2 CO 0.00 -0.61 0.12 0.72 -0.54 0.00 0.00 174.62 174.30 1va4 s PHE 3 N -2.67 1.41 -0.19 3.99 -0.12 -0.64 -4.96 117.98 114.80 1va4 s PHE 3 Ca -0.04 -1.28 -0.03 0.00 -0.05 0.00 0.00 56.93 55.53 1va4 s PHE 3 Cb -0.01 -0.77 -0.01 0.00 -0.63 0.00 0.00 43.02 41.60 1va4 s PHE 3 CO -0.05 -0.47 -0.07 0.08 -0.05 0.00 0.00 175.22 174.66 1va4 s VAL 4 N -3.88 3.29 0.89 -2.49 1.01 -1.26 -0.75 120.40 117.21 1va4 s VAL 4 Ca 0.38 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1va4 s VAL 4 Cb 0.07 -2.46 0.13 0.00 0.00 0.00 0.00 36.38 34.12 1va4 s VAL 4 CO 0.14 0.46 1.15 0.00 0.00 0.00 0.00 175.10 176.85 1va4 s ALA 5 N 1.02 1.99 0.25 5.51 0.00 0.43 -4.90 121.76 126.06 1va4 s ALA 5 Ca -0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 1va4 s ALA 5 Cb -0.15 -3.00 0.33 0.00 0.00 0.00 0.00 23.12 20.30 1va4 s ALA 5 CO -0.00 -2.16 1.57 -0.22 0.00 0.00 0.00 175.76 174.95 1va4 h LYS 6 N -1.41 -0.02 -0.02 0.00 3.64 -1.95 -0.35 116.57 116.46 1va4 h LYS 6 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1va4 h LYS 6 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1va4 h LYS 6 CO 0.62 -0.01 0.00 -0.40 -2.27 0.00 0.00 179.45 177.39 1va4 n ASP 7 N -5.54 0.16 0.00 4.20 5.68 -1.26 -4.87 116.55 114.92 1va4 n ASP 7 Ca 0.12 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1va4 n ASP 7 Cb 0.43 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1va4 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1va4 n GLY 8 N 0.73 0.24 3.69 6.12 0.00 -0.14 -5.06 105.19 110.77 1va4 n GLY 8 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1va4 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va4 s THR 9 N -2.00 3.63 -0.08 2.61 2.01 -1.25 -4.69 115.64 115.87 1va4 s THR 9 Ca 0.00 1.05 -0.26 0.00 0.31 0.00 0.00 61.69 62.79 1va4 s THR 9 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1va4 s THR 9 CO 0.00 0.01 0.81 -1.58 -0.69 0.00 0.00 174.62 173.17 1va4 s GLN 10 N 2.23 4.43 -0.16 4.92 0.74 -1.26 -0.43 119.66 130.13 1va4 s GLN 10 Ca 0.64 1.06 0.00 0.00 0.05 0.00 0.00 55.36 57.12 1va4 s GLN 10 Cb -0.32 -3.49 -0.00 0.00 1.10 0.00 0.00 33.01 30.30 1va4 s GLN 10 CO 0.27 -0.09 -0.15 0.42 -0.55 0.00 0.00 175.29 175.20 1va4 s ILE 11 N 1.27 2.66 0.15 -2.34 -1.09 0.07 -1.23 121.20 120.69 1va4 s ILE 11 Ca 0.41 -0.77 -0.27 0.00 -2.23 0.00 0.00 60.65 57.80 1va4 s ILE 11 Cb -0.18 -2.13 -0.07 0.00 -1.58 0.00 0.00 42.46 38.50 1va4 s ILE 11 CO 0.19 0.51 0.84 -0.47 -1.23 0.00 0.00 174.94 174.78 1va4 s TYR 12 N 0.89 3.88 0.11 3.97 5.04 -1.26 -1.63 117.35 128.36 1va4 s TYR 12 Ca -0.04 1.70 -0.06 0.00 -2.44 0.00 0.00 57.07 56.23 1va4 s TYR 12 Cb -0.15 -2.87 -0.02 0.00 0.35 0.00 0.00 41.96 39.27 1va4 s TYR 12 CO -0.01 0.41 0.16 -0.59 -1.34 0.00 0.00 175.55 174.17 1va4 s PHE 13 N -0.78 0.41 0.06 4.97 -0.71 -0.01 -0.60 117.98 121.32 1va4 s PHE 13 Ca 0.39 -0.84 0.07 0.00 -1.04 0.00 0.00 56.93 55.52 1va4 s PHE 13 Cb -0.23 -0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.35 1va4 s PHE 13 CO 0.28 -0.56 -0.18 0.15 -1.34 0.00 0.00 175.22 173.56 1va4 s LYS 14 N -3.94 2.01 -0.27 1.99 1.02 0.72 -1.02 119.74 120.25 1va4 s LYS 14 Ca 0.12 -1.02 -0.03 0.00 0.02 0.00 0.00 55.97 55.06 1va4 s LYS 14 Cb 0.05 -2.17 0.09 0.00 -0.52 0.00 0.00 37.83 35.29 1va4 s LYS 14 CO -0.05 0.53 0.11 0.34 -0.92 0.00 0.00 175.35 175.35 1va4 s ASP 15 N -1.56 3.43 -0.02 2.83 2.15 -1.26 -1.38 116.67 120.85 1va4 s ASP 15 Ca 0.15 -1.23 0.05 0.00 0.43 0.00 0.00 52.55 51.95 1va4 s ASP 15 Cb -0.10 -0.47 -0.03 0.00 -0.30 0.00 0.00 42.92 42.02 1va4 s ASP 15 CO 0.06 -0.41 -0.17 0.26 -0.17 0.00 0.00 175.17 174.74 1va4 s TRP 16 N 1.98 2.60 0.00 -5.34 0.51 0.91 -4.98 118.94 114.62 1va4 s TRP 16 Ca 0.07 -0.24 0.00 0.00 -2.12 0.00 0.00 56.10 53.82 1va4 s TRP 16 Cb -0.16 -1.57 0.00 0.00 -0.81 0.00 0.00 33.47 30.93 1va4 s TRP 16 CO -0.28 0.16 0.00 0.41 -0.51 0.00 0.00 176.95 176.72 1va4 n GLY 17 N 2.17 -1.86 3.17 0.98 0.00 -1.26 -0.72 105.19 107.67 1va4 n GLY 17 Ca -0.17 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1va4 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1va4 s SER 18 N -3.96 0.30 0.00 1.61 1.04 -1.25 -4.71 113.70 106.73 1va4 s SER 18 Ca 0.00 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1va4 s SER 18 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1va4 s SER 18 CO 0.00 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1va4 n GLY 19 N -0.06 -0.22 3.74 7.32 0.00 -1.26 -2.95 105.19 111.76 1va4 n GLY 19 Ca -0.08 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 1va4 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va4 s LYS 20 N 0.00 4.13 0.24 1.61 -0.14 -1.26 -4.11 119.74 120.20 1va4 s LYS 20 Ca 0.00 2.57 -0.21 0.00 -1.36 0.00 0.00 55.97 56.97 1va4 s LYS 20 Cb 0.00 -3.04 -0.09 0.00 -1.68 0.00 0.00 37.83 33.03 1va4 s LYS 20 CO 0.00 -0.64 0.77 -1.25 -0.76 0.00 0.00 175.35 173.47 1va4 s PRO 21 N -0.22 4.32 -0.12 -1.68 0.04 -1.26 -1.46 135.00 134.62 1va4 s PRO 21 Ca 0.65 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 1va4 s PRO 21 Cb -0.48 -2.87 0.03 0.00 0.04 0.00 0.00 34.50 31.22 1va4 s PRO 21 CO 0.45 0.38 -0.06 0.08 0.04 0.00 0.00 177.00 177.88 1va4 s VAL 22 N -1.54 0.96 -0.19 -0.36 1.01 0.56 -1.57 120.40 119.28 1va4 s VAL 22 Ca 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1va4 s VAL 22 Cb -0.17 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1va4 s VAL 22 CO 0.22 0.32 -0.10 -0.22 0.00 0.00 0.00 175.10 175.31 1va4 s LEU 23 N 1.73 2.69 -0.14 3.92 0.20 -0.21 -0.44 118.68 126.43 1va4 s LEU 23 Ca 0.04 -0.43 -0.04 0.00 0.69 0.00 0.00 54.13 54.39 1va4 s LEU 23 Cb -0.13 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 43.95 1va4 s LEU 23 CO -0.08 0.03 0.01 -0.36 -0.29 0.00 0.00 176.35 175.67 1va4 s PHE 24 N 1.13 3.16 -0.23 5.38 0.40 -0.07 -0.78 117.98 126.97 1va4 s PHE 24 Ca 0.01 0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.38 1va4 s PHE 24 Cb -0.14 -1.93 0.05 0.00 0.51 0.00 0.00 43.02 41.50 1va4 s PHE 24 CO -0.03 0.23 -0.14 0.45 0.70 0.00 0.00 175.22 176.43 1va4 s SER 25 N -0.13 3.99 0.93 1.36 0.15 0.67 -3.82 113.70 116.84 1va4 s SER 25 Ca 0.05 -1.13 -0.12 0.00 0.70 0.00 0.00 55.95 55.45 1va4 s SER 25 Cb -0.13 -1.53 0.15 0.00 -1.71 0.00 0.00 66.02 62.80 1va4 s SER 25 CO 0.02 -0.12 1.11 -1.38 1.20 0.00 0.00 173.24 174.07 1va4 s HIS 26 N 1.17 2.38 0.28 3.44 -3.43 -1.26 -1.80 115.29 116.07 1va4 s HIS 26 Ca -0.04 0.98 -0.03 0.00 -0.80 0.00 0.00 55.06 55.16 1va4 s HIS 26 Cb -0.18 -3.29 0.06 0.00 -1.43 0.00 0.00 32.58 27.75 1va4 s HIS 26 CO -0.08 -2.49 0.38 0.41 -2.00 0.00 0.00 174.74 170.96 1va4 n GLY 27 N -1.68 -0.59 3.74 -1.38 0.00 -1.22 -3.34 105.19 100.72 1va4 n GLY 27 Ca 0.06 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1va4 n GLY 27 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1va4 s TRP 28 N -1.53 3.24 0.00 1.61 -0.00 -1.26 -3.19 118.94 117.80 1va4 s TRP 28 Ca 0.22 1.25 0.00 0.00 -0.00 0.00 0.00 56.10 57.57 1va4 s TRP 28 Cb -0.01 -3.61 0.00 0.00 -0.00 0.00 0.00 33.47 29.85 1va4 s TRP 28 CO 0.15 -1.87 0.00 1.28 -0.00 0.00 0.00 176.95 176.52 1va4 n LEU 29 N 2.37 0.00 0.00 5.86 4.77 -1.26 -4.97 117.00 123.77 1va4 n LEU 29 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1va4 n LEU 29 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1va4 n LEU 29 CO 0.58 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.82 1va4 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.19 -2.93 117.00 119.88 1va4 n LEU 30 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1va4 n LEU 30 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1va4 n LEU 30 CO 0.00 -0.03 0.00 -0.90 -1.33 0.00 0.00 177.39 175.13 1va4 n ASP 31 N -0.19 0.00 0.31 -1.43 5.68 -1.26 -4.42 116.55 115.24 1va4 n ASP 31 Ca 0.00 -1.00 0.19 0.00 -0.50 0.00 0.00 54.79 53.48 1va4 n ASP 31 Cb 0.00 0.00 1.03 0.00 -1.14 0.00 0.00 41.12 41.01 1va4 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1va4 h ALA 32 N 1.94 1.34 0.00 2.12 0.00 -1.91 -1.54 119.26 121.21 1va4 h ALA 32 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1va4 h ALA 32 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1va4 h ALA 32 CO 0.00 -0.05 -0.04 -0.44 0.00 0.00 0.00 179.25 178.72 1va4 h ASP 33 N 0.00 0.00 0.39 0.00 5.19 -1.95 -2.32 116.42 117.72 1va4 h ASP 33 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1va4 h ASP 33 Cb 0.09 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 1va4 h ASP 33 CO -0.00 0.04 -0.00 0.00 -3.12 0.00 0.00 179.24 176.15 1va4 h MET 34 N 0.00 0.00 -0.09 3.56 -0.00 -1.69 -1.88 114.93 114.83 1va4 h MET 34 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1va4 h MET 34 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1va4 h MET 34 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.83 1va4 n TRP 35 N -3.09 0.10 -0.34 -0.10 7.02 -0.87 -4.68 117.44 115.47 1va4 n TRP 35 Ca -0.02 -0.05 0.13 0.00 -1.02 0.00 0.00 57.50 56.54 1va4 n TRP 35 Cb 0.16 0.00 0.33 0.00 -2.42 0.00 0.00 31.31 29.38 1va4 n TRP 35 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1va4 h GLU 36 N 3.35 0.74 -0.03 -0.99 4.11 -1.46 -0.08 114.58 120.21 1va4 h GLU 36 Ca 0.00 -0.04 -0.22 0.00 0.07 0.00 0.00 59.36 59.16 1va4 h GLU 36 Cb 0.72 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1va4 h GLU 36 CO 0.00 0.49 -0.90 1.88 0.07 0.00 0.00 179.01 180.55 1va4 h TYR 37 N 0.76 0.71 -0.59 2.06 0.05 -1.84 -1.82 116.97 116.31 1va4 h TYR 37 Ca 0.55 -0.37 -0.10 0.00 0.05 0.00 0.00 58.73 58.86 1va4 h TYR 37 Cb 0.87 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 1va4 h TYR 37 CO -0.00 1.18 -0.04 1.96 -1.05 0.00 0.00 178.16 180.20 1va4 h GLN 38 N 0.30 1.07 -0.11 4.88 7.50 -1.66 -1.04 115.11 126.04 1va4 h GLN 38 Ca -0.07 -0.36 -0.01 0.00 0.50 0.00 0.00 58.65 58.70 1va4 h GLN 38 Cb 1.53 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.97 1va4 h GLN 38 CO 0.16 1.06 0.03 0.52 -1.50 0.00 0.00 178.83 179.10 1va4 h MET 39 N 0.96 0.18 -0.63 1.46 2.86 -1.02 -0.77 114.93 117.97 1va4 h MET 39 Ca 0.16 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1va4 h MET 39 Cb 0.61 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1va4 h MET 39 CO 0.04 0.36 0.39 1.49 1.06 0.00 0.00 176.91 180.25 1va4 h GLU 40 N -0.03 0.85 -0.00 1.72 4.22 -1.33 0.14 114.58 120.15 1va4 h GLU 40 Ca 0.04 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.41 1va4 h GLU 40 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1va4 h GLU 40 CO 0.00 0.59 -0.04 -0.92 -2.18 0.00 0.00 179.01 176.46 1va4 h TYR 41 N 0.86 -0.11 0.01 0.92 3.20 -1.02 -1.92 116.97 118.91 1va4 h TYR 41 Ca 0.23 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.83 1va4 h TYR 41 Cb -0.05 0.05 0.02 0.00 1.54 0.00 0.00 36.73 38.29 1va4 h TYR 41 CO -0.02 -0.07 -1.06 -0.07 -1.64 0.00 0.00 178.16 175.30 1va4 h LEU 42 N -0.08 0.88 -1.44 2.82 3.38 -1.08 -3.22 115.31 116.57 1va4 h LEU 42 Ca 0.02 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1va4 h LEU 42 Cb 0.10 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1va4 h LEU 42 CO -0.05 1.52 -0.04 0.28 0.09 0.00 0.00 178.44 180.24 1va4 h SER 43 N 0.37 0.00 -0.04 -0.43 0.02 -0.69 -0.75 113.55 112.03 1va4 h SER 43 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1va4 h SER 43 Cb 1.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1va4 h SER 43 CO 0.21 0.04 0.00 -1.54 -1.14 0.00 0.00 176.83 174.40 1va4 n SER 44 N -3.16 1.15 -1.01 3.07 3.41 -0.73 -3.65 113.62 112.71 1va4 n SER 44 Ca 0.00 -1.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 1va4 n SER 44 Cb 0.32 -0.02 0.15 0.00 -0.26 0.00 0.00 64.21 64.40 1va4 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1va4 n ARG 45 N -0.09 1.80 -0.49 4.33 1.74 -0.32 -4.99 116.66 118.64 1va4 n ARG 45 Ca 0.19 -3.34 0.00 0.00 -0.77 0.00 0.00 57.85 53.94 1va4 n ARG 45 Cb 0.29 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1va4 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1va4 n GLY 46 N -0.87 0.72 3.58 -0.13 0.00 -1.14 -5.01 105.19 102.35 1va4 n GLY 46 Ca 0.22 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1va4 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1va4 s TYR 47 N -2.00 2.63 -0.17 1.61 2.02 -1.02 -4.31 117.35 116.11 1va4 s TYR 47 Ca 0.00 -0.23 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 1va4 s TYR 47 Cb 0.00 -1.26 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 1va4 s TYR 47 CO 0.00 0.54 0.26 0.50 -1.57 0.00 0.00 175.55 175.27 1va4 s ARG 48 N -2.98 4.24 -0.06 -0.62 3.52 -0.53 -3.77 118.95 118.75 1va4 s ARG 48 Ca 0.26 0.03 0.05 0.00 -0.13 0.00 0.00 55.73 55.94 1va4 s ARG 48 Cb -0.08 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1va4 s ARG 48 CO 0.16 0.25 -0.23 0.95 -0.81 0.00 0.00 175.30 175.62 1va4 s THR 49 N 0.45 2.23 -0.07 4.11 -4.23 0.10 -0.33 115.64 117.91 1va4 s THR 49 Ca 0.15 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1va4 s THR 49 Cb -0.13 -1.83 0.01 0.00 1.34 0.00 0.00 72.50 71.90 1va4 s THR 49 CO 0.03 0.57 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.93 1va4 s ILE 50 N -0.17 1.10 -0.01 2.99 1.09 0.41 -0.06 121.20 126.56 1va4 s ILE 50 Ca -0.03 -0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.07 1va4 s ILE 50 Cb -0.14 -1.02 0.01 0.00 -1.06 0.00 0.00 42.46 40.25 1va4 s ILE 50 CO 0.04 0.35 0.00 0.00 -0.10 0.00 0.00 174.94 175.23 1va4 s ALA 51 N 0.76 0.10 0.25 9.38 0.00 -0.48 -0.89 121.76 130.89 1va4 s ALA 51 Ca -0.13 0.06 0.10 0.00 0.00 0.00 0.00 51.96 51.99 1va4 s ALA 51 Cb -0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1va4 s ALA 51 CO 0.03 -0.02 -0.03 -0.59 0.00 0.00 0.00 175.76 175.15 1va4 s PHE 52 N 0.34 2.67 -0.33 0.00 -0.71 -1.25 -0.20 117.98 118.50 1va4 s PHE 52 Ca -0.03 -0.23 -0.21 0.00 -1.04 0.00 0.00 56.93 55.42 1va4 s PHE 52 Cb -0.05 -1.20 -0.00 0.00 -1.21 0.00 0.00 43.02 40.56 1va4 s PHE 52 CO -0.01 0.61 0.69 -0.51 -1.34 0.00 0.00 175.22 174.66 1va4 s ASP 53 N -3.53 6.52 0.49 1.98 1.01 0.23 -3.90 116.67 119.47 1va4 s ASP 53 Ca 0.30 0.40 -0.21 0.00 0.71 0.00 0.00 52.55 53.75 1va4 s ASP 53 Cb -0.07 -2.35 -0.10 0.00 1.01 0.00 0.00 42.92 41.41 1va4 s ASP 53 CO 0.19 -0.57 0.78 -1.14 0.21 0.00 0.00 175.17 174.64 1va4 n ARG 54 N 6.06 0.89 -1.57 8.23 0.63 -1.26 -4.38 116.66 125.26 1va4 n ARG 54 Ca 0.00 0.33 -0.48 0.00 -0.92 0.00 0.00 57.85 56.79 1va4 n ARG 54 Cb 0.49 -1.86 -0.03 0.00 0.45 0.00 0.00 32.46 31.50 1va4 n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1va4 n ARG 55 N 0.01 1.16 -0.71 -0.14 1.85 -1.26 -1.09 116.66 116.48 1va4 n ARG 55 Ca 0.11 0.41 0.00 0.00 -1.00 0.00 0.00 57.85 57.37 1va4 n ARG 55 Cb 0.43 -1.87 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 1va4 n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1va4 n GLY 56 N 1.84 0.94 3.23 2.89 0.00 -0.19 -4.96 105.19 108.94 1va4 n GLY 56 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1va4 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1va4 s PHE 57 N -3.45 1.44 0.00 1.61 0.40 -0.25 0.26 117.98 118.00 1va4 s PHE 57 Ca 0.00 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1va4 s PHE 57 Cb 0.00 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.75 1va4 s PHE 57 CO 0.00 0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.47 1va4 n GLY 58 N 0.87 3.52 0.76 4.36 0.00 -1.26 -1.79 105.19 111.65 1va4 n GLY 58 Ca -0.18 0.01 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1va4 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va4 n ARG 59 N 14.00 2.03 -1.95 1.61 1.74 -1.26 -4.63 116.66 128.21 1va4 n ARG 59 Ca 0.00 -1.52 -0.30 0.00 -0.77 0.00 0.00 57.85 55.27 1va4 n ARG 59 Cb 0.00 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.02 1va4 n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1va4 s SER 60 N -1.86 5.38 0.98 0.55 0.01 -0.74 -4.60 113.70 113.42 1va4 s SER 60 Ca 0.34 1.04 -0.11 0.00 1.31 0.00 0.00 55.95 58.53 1va4 s SER 60 Cb 0.20 -1.84 0.18 0.00 0.21 0.00 0.00 66.02 64.77 1va4 s SER 60 CO 0.31 -1.36 1.09 -1.81 0.41 0.00 0.00 173.24 171.88 1va4 s ASP 61 N -4.37 2.58 -0.70 2.44 1.01 -0.37 -4.53 116.67 112.73 1va4 s ASP 61 Ca 0.58 1.73 0.05 0.00 0.71 0.00 0.00 52.55 55.62 1va4 s ASP 61 Cb -0.11 -2.35 0.18 0.00 1.01 0.00 0.00 42.92 41.65 1va4 s ASP 61 CO 0.51 -3.24 0.52 0.00 0.21 0.00 0.00 175.17 173.17 1va4 n GLN 62 N -4.29 1.87 -2.39 8.23 6.02 -1.26 -1.03 117.38 124.52 1va4 n GLN 62 Ca 0.07 -4.48 -0.37 0.00 -0.01 0.00 0.00 57.00 52.21 1va4 n GLN 62 Cb 0.54 -2.27 -0.03 0.00 1.02 0.00 0.00 30.24 29.50 1va4 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1va4 s PRO 63 N -1.54 4.07 0.26 -1.09 0.04 -1.26 -4.94 135.00 130.55 1va4 s PRO 63 Ca 0.26 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 1va4 s PRO 63 Cb -0.02 -2.60 0.34 0.00 0.04 0.00 0.00 34.50 32.26 1va4 s PRO 63 CO -0.16 -0.27 1.74 2.35 0.04 0.00 0.00 177.00 180.71 1va4 h TRP 64 N 2.53 0.78 -1.82 0.56 2.91 -2.01 -3.45 115.95 115.46 1va4 h TRP 64 Ca -0.49 -0.12 -0.49 0.00 1.13 0.00 0.00 58.89 58.92 1va4 h TRP 64 Cb 1.23 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 29.63 1va4 h TRP 64 CO 0.56 0.77 -0.44 0.95 -1.03 0.00 0.00 178.44 179.25 1va4 s THR 65 N -4.86 3.50 0.00 2.65 -4.23 -1.26 -4.68 115.64 106.76 1va4 s THR 65 Ca -0.09 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1va4 s THR 65 Cb 0.14 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1va4 s THR 65 CO 0.81 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 1va4 n GLY 66 N -1.40 0.46 2.63 3.99 0.00 -1.26 -4.96 105.19 104.65 1va4 n GLY 66 Ca -0.01 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1va4 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1va4 n ASN 67 N 1.31 6.41 -3.87 1.61 3.02 -1.26 -4.47 115.26 118.01 1va4 n ASN 67 Ca 0.00 -2.98 -0.09 0.00 -0.03 0.00 0.00 54.58 51.48 1va4 n ASN 67 Cb 0.00 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 37.62 1va4 n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1va4 s ASP 68 N 1.34 0.01 0.26 6.41 1.47 -1.26 -4.59 116.67 120.31 1va4 s ASP 68 Ca 0.50 -0.70 0.05 0.00 1.18 0.00 0.00 52.55 53.59 1va4 s ASP 68 Cb 0.15 0.42 0.33 0.00 -0.34 0.00 0.00 42.92 43.47 1va4 s ASP 68 CO -0.05 -0.85 1.62 1.88 0.68 0.00 0.00 175.17 178.44 1va4 h TYR 69 N 2.56 0.32 -0.59 2.11 0.05 -1.92 -1.22 116.97 118.27 1va4 h TYR 69 Ca -0.32 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.35 1va4 h TYR 69 Cb 1.22 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.87 1va4 h TYR 69 CO 0.39 0.72 0.39 -0.44 -1.05 0.00 0.00 178.16 178.18 1va4 h ASP 70 N 0.20 0.68 -0.33 3.88 3.32 -1.97 0.04 116.42 122.26 1va4 h ASP 70 Ca 0.01 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1va4 h ASP 70 Cb 0.98 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1va4 h ASP 70 CO 0.08 0.50 0.01 0.74 -1.72 0.00 0.00 179.24 178.85 1va4 h THR 71 N 0.81 1.25 -0.75 0.35 2.02 -1.77 -1.75 112.91 113.07 1va4 h THR 71 Ca 0.22 -0.92 0.08 0.00 0.77 0.00 0.00 66.41 66.55 1va4 h THR 71 Cb -0.09 1.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 1va4 h THR 71 CO -0.05 0.30 0.41 -0.26 0.37 0.00 0.00 175.52 176.30 1va4 h PHE 72 N 0.37 0.75 -0.62 3.16 0.04 -1.06 0.21 116.94 119.80 1va4 h PHE 72 Ca 0.09 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 1va4 h PHE 72 Cb 0.42 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 1va4 h PHE 72 CO 0.03 0.32 0.12 0.00 -0.60 0.00 0.00 178.31 178.18 1va4 h ALA 73 N 1.41 1.05 0.00 2.45 0.00 -0.89 -2.21 119.26 121.07 1va4 h ALA 73 Ca 0.35 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1va4 h ALA 73 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1va4 h ALA 73 CO -0.23 0.62 -0.54 -0.44 0.00 0.00 0.00 179.25 178.66 1va4 h ASP 74 N 0.93 0.00 -0.68 0.00 3.32 -0.36 -1.28 116.42 118.36 1va4 h ASP 74 Ca 0.19 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1va4 h ASP 74 Cb 0.38 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1va4 h ASP 74 CO 0.01 0.54 0.26 0.44 -1.72 0.00 0.00 179.24 178.77 1va4 h ASP 75 N 0.00 0.94 -0.48 6.45 3.32 -0.31 0.13 116.42 126.46 1va4 h ASP 75 Ca -0.01 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1va4 h ASP 75 Cb 1.16 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1va4 h ASP 75 CO 0.07 0.86 0.17 0.40 -1.72 0.00 0.00 179.24 179.02 1va4 h ILE 76 N 0.96 1.22 -0.67 0.35 2.04 -1.01 -1.25 117.51 119.15 1va4 h ILE 76 Ca 0.22 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.44 1va4 h ILE 76 Cb 0.22 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1va4 h ILE 76 CO -0.02 0.25 0.39 0.00 0.00 0.00 0.00 178.15 178.78 1va4 h ALA 77 N 1.02 0.89 -0.41 1.87 0.00 -0.95 -0.54 119.26 121.15 1va4 h ALA 77 Ca 0.16 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1va4 h ALA 77 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1va4 h ALA 77 CO -0.01 0.11 -0.08 1.96 0.00 0.00 0.00 179.25 181.23 1va4 h GLN 78 N 0.75 0.70 -0.36 0.00 4.20 -0.68 -0.31 115.11 119.40 1va4 h GLN 78 Ca 0.29 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1va4 h GLN 78 Cb 0.11 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1va4 h GLN 78 CO -0.15 0.78 0.04 1.25 -0.67 0.00 0.00 178.83 180.07 1va4 h LEU 79 N 0.65 0.60 -0.79 1.46 5.85 -0.65 0.11 115.31 122.53 1va4 h LEU 79 Ca 0.12 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1va4 h LEU 79 Cb 0.52 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1va4 h LEU 79 CO 0.03 0.73 0.50 0.40 -0.34 0.00 0.00 178.44 179.76 1va4 h ILE 80 N 0.45 1.10 -0.33 4.05 2.04 -0.74 -1.19 117.51 122.89 1va4 h ILE 80 Ca 0.11 -0.33 -0.17 0.00 1.00 0.00 0.00 64.86 65.47 1va4 h ILE 80 Cb 0.40 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1va4 h ILE 80 CO 0.01 0.18 -0.47 -0.33 0.00 0.00 0.00 178.15 177.54 1va4 h GLU 81 N 0.96 0.89 -0.90 2.37 3.07 -0.93 -0.14 114.58 119.90 1va4 h GLU 81 Ca 0.32 -0.51 0.06 0.00 -0.50 0.00 0.00 59.36 58.73 1va4 h GLU 81 Cb 0.04 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 27.93 1va4 h GLU 81 CO -0.12 1.16 0.56 1.25 -1.40 0.00 0.00 179.01 180.46 1va4 h HIS 82 N 0.70 1.04 -0.02 4.33 2.76 -0.26 -2.36 115.15 121.35 1va4 h HIS 82 Ca 0.04 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1va4 h HIS 82 Cb 1.07 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1va4 h HIS 82 CO 0.07 0.53 -0.09 1.28 -1.30 0.00 0.00 177.93 178.42 1va4 n LEU 83 N -4.59 2.23 -3.97 0.26 4.77 -0.50 -4.97 117.00 110.24 1va4 n LEU 83 Ca 0.13 -0.75 -0.26 0.00 -0.03 0.00 0.00 56.01 55.10 1va4 n LEU 83 Cb 0.18 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1va4 n LEU 83 CO 0.31 0.38 -0.20 -0.67 -1.33 0.00 0.00 177.39 175.89 1va4 n ASP 84 N 0.62 -0.78 -4.78 -1.43 2.03 -0.18 -4.93 116.55 107.10 1va4 n ASP 84 Ca 0.15 -0.99 -0.37 0.00 0.52 0.00 0.00 54.79 54.10 1va4 n ASP 84 Cb 0.48 -3.10 -0.04 0.00 -0.72 0.00 0.00 41.12 37.75 1va4 n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1va4 s LEU 85 N -6.99 4.15 0.03 -2.67 1.43 -0.50 -5.03 118.68 109.09 1va4 s LEU 85 Ca 0.10 2.07 -0.02 0.00 -1.03 0.00 0.00 54.13 55.24 1va4 s LEU 85 Cb -0.05 -4.17 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1va4 s LEU 85 CO 0.89 -0.51 0.02 -0.54 0.23 0.00 0.00 176.35 176.44 1va4 s LYS 86 N -2.47 0.43 -1.46 1.70 1.02 -1.26 -4.86 119.74 112.84 1va4 s LYS 86 Ca 0.58 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 55.79 1va4 s LYS 86 Cb -0.23 0.16 0.05 0.00 -0.52 0.00 0.00 37.83 37.30 1va4 s LYS 86 CO 0.29 -0.09 0.78 0.39 -0.92 0.00 0.00 175.35 175.80 1va4 n GLU 87 N 1.20 -4.67 -2.53 1.68 -0.58 -0.70 -4.57 120.64 110.47 1va4 n GLU 87 Ca -0.21 0.54 -0.41 0.00 -0.42 0.00 0.00 57.16 56.66 1va4 n GLU 87 Cb 0.57 -5.18 -0.04 0.00 -0.57 0.00 0.00 31.44 26.21 1va4 n GLU 87 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1va4 s VAL 88 N -3.53 3.91 -0.31 2.62 0.11 -0.16 -4.32 120.40 118.72 1va4 s VAL 88 Ca 0.36 1.65 -0.14 0.00 -2.93 0.00 0.00 61.98 60.92 1va4 s VAL 88 Cb -0.18 -4.05 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 1va4 s VAL 88 CO 0.85 0.28 0.31 -0.89 -3.33 0.00 0.00 175.10 172.32 1va4 s THR 89 N -0.24 5.22 -0.01 5.04 2.01 -0.61 -0.21 115.64 126.85 1va4 s THR 89 Ca 0.49 0.16 -0.21 0.00 0.31 0.00 0.00 61.69 62.45 1va4 s THR 89 Cb -0.29 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1va4 s THR 89 CO 0.35 0.05 0.60 -0.76 -0.69 0.00 0.00 174.62 174.17 1va4 s LEU 90 N 1.93 4.41 -0.10 4.42 1.43 -0.44 -1.05 118.68 129.29 1va4 s LEU 90 Ca 0.11 1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 1va4 s LEU 90 Cb -0.16 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 43.16 1va4 s LEU 90 CO 0.11 0.09 -0.02 -0.69 0.23 0.00 0.00 176.35 176.07 1va4 s VAL 91 N -0.13 0.56 -0.05 -1.59 1.01 0.04 0.07 120.40 120.31 1va4 s VAL 91 Ca 0.31 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1va4 s VAL 91 Cb -0.18 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 1va4 s VAL 91 CO 0.17 0.24 -0.18 -0.83 0.00 0.00 0.00 175.10 174.50 1va4 s GLY 92 N 1.89 0.98 -0.15 4.51 0.00 -0.58 -0.24 107.32 113.73 1va4 s GLY 92 Ca 0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 44.72 43.99 1va4 s GLY 92 CO -0.06 -0.33 0.04 -0.12 0.00 0.00 0.00 173.10 172.63 1va4 s PHE 93 N 0.12 3.22 0.00 1.90 5.36 -0.75 -0.73 117.98 127.10 1va4 s PHE 93 Ca -0.06 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 1va4 s PHE 93 Cb -0.13 -1.98 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 1va4 s PHE 93 CO 0.03 0.24 0.00 0.45 -1.46 0.00 0.00 175.22 174.48 1va4 n SER 94 N 3.08 0.00 0.30 6.13 2.88 0.14 -0.15 113.62 126.00 1va4 n SER 94 Ca -0.17 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.53 1va4 n SER 94 Cb 0.53 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.93 1va4 n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1va4 h MET 95 N 0.00 0.00 0.00 -1.46 -0.00 -1.84 -1.62 114.93 110.01 1va4 h MET 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1va4 h MET 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1va4 h MET 95 CO 0.00 0.03 0.00 0.41 -0.00 0.00 0.00 176.91 177.35 1va4 n GLY 96 N -1.01 -1.27 0.24 -3.00 0.00 0.79 -1.42 105.19 99.52 1va4 n GLY 96 Ca -0.02 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1va4 n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1va4 h GLY 97 N 3.32 0.00 1.42 -0.02 0.00 -1.35 -3.14 103.07 103.29 1va4 h GLY 97 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1va4 h GLY 97 CO 0.00 0.00 -0.90 -1.33 0.00 0.00 0.00 176.54 174.31 1va4 h GLY 98 N 0.64 0.60 2.00 4.60 0.00 -1.41 -2.44 103.07 107.06 1va4 h GLY 98 Ca -0.00 -0.98 -0.17 0.00 0.00 0.00 0.00 47.33 46.18 1va4 h GLY 98 CO 0.02 0.87 -0.82 1.29 0.00 0.00 0.00 176.54 177.90 1va4 h ASP 99 N 0.33 0.00 -0.19 0.19 3.04 -1.65 0.23 116.42 118.37 1va4 h ASP 99 Ca -0.08 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.54 1va4 h ASP 99 Cb 1.53 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.82 1va4 h ASP 99 CO 0.17 0.82 -0.53 -0.37 -2.04 0.00 0.00 179.24 177.29 1va4 h VAL 100 N 0.00 1.29 -0.35 4.15 -1.51 -1.62 -1.03 116.25 117.17 1va4 h VAL 100 Ca -0.01 -1.73 -0.04 0.00 -1.23 0.00 0.00 66.70 63.70 1va4 h VAL 100 Cb 1.59 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 32.38 1va4 h VAL 100 CO 0.11 0.56 0.07 0.00 -1.23 0.00 0.00 177.57 177.07 1va4 h ALA 101 N 0.80 0.47 -0.13 5.19 0.00 -1.32 -2.71 119.26 121.56 1va4 h ALA 101 Ca 0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1va4 h ALA 101 Cb 1.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1va4 h ALA 101 CO 0.11 0.16 -0.15 -0.09 0.00 0.00 0.00 179.25 179.29 1va4 h ARG 102 N 0.42 0.21 0.06 0.00 9.65 -0.55 -1.76 114.38 122.40 1va4 h ARG 102 Ca 0.11 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1va4 h ARG 102 Cb 0.34 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1va4 h ARG 102 CO 0.00 0.36 -0.03 -0.92 2.80 0.00 0.00 179.97 182.18 1va4 h TYR 103 N 0.20 -0.08 -0.58 2.20 3.20 -1.05 0.08 116.97 120.94 1va4 h TYR 103 Ca 0.04 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1va4 h TYR 103 Cb 0.38 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 1va4 h TYR 103 CO 0.01 0.00 0.27 0.82 -1.64 0.00 0.00 178.16 177.61 1va4 h ILE 104 N -0.14 0.88 -0.72 1.81 2.04 -1.20 0.21 117.51 120.39 1va4 h ILE 104 Ca -0.01 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1va4 h ILE 104 Cb 0.11 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1va4 h ILE 104 CO 0.01 0.09 0.37 0.00 0.00 0.00 0.00 178.15 178.62 1va4 h ALA 105 N 1.35 0.93 0.03 1.87 0.00 -1.09 0.36 119.26 122.71 1va4 h ALA 105 Ca 0.27 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1va4 h ALA 105 Cb 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1va4 h ALA 105 CO -0.22 0.47 -1.27 0.00 0.00 0.00 0.00 179.25 178.23 1va4 h ARG 106 N 1.00 0.07 -0.00 0.00 3.08 -0.76 -3.39 114.38 114.38 1va4 h ARG 106 Ca 0.25 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1va4 h ARG 106 Cb 0.08 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1va4 h ARG 106 CO -0.04 0.93 -0.26 0.72 -1.07 0.00 0.00 179.97 180.26 1va4 n HIS 107 N -3.32 0.00 -0.41 3.04 8.25 0.70 -5.09 115.22 118.39 1va4 n HIS 107 Ca -0.07 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.44 1va4 n HIS 107 Cb 0.99 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.09 1va4 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1va4 n GLY 108 N 1.03 -1.55 0.79 -1.41 0.00 0.13 -4.71 105.19 99.47 1va4 n GLY 108 Ca 0.02 -1.43 0.07 0.00 0.00 0.00 0.00 46.02 44.68 1va4 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1va4 n SER 109 N -2.08 3.40 -0.20 1.61 3.41 -1.26 -4.55 113.62 113.95 1va4 n SER 109 Ca 0.00 -2.40 0.14 0.00 -0.26 0.00 0.00 58.87 56.35 1va4 n SER 109 Cb 0.19 -0.37 0.46 0.00 -0.26 0.00 0.00 64.21 64.23 1va4 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1va4 h ALA 110 N 2.08 2.02 -0.28 7.33 0.00 -1.98 0.32 119.26 128.76 1va4 h ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1va4 h ALA 110 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1va4 h ALA 110 CO 0.10 -0.23 0.00 0.54 0.00 0.00 0.00 179.25 179.65 1va4 n ARG 111 N -4.50 2.10 -4.43 0.00 1.74 -1.26 -4.74 116.66 105.57 1va4 n ARG 111 Ca 0.15 -1.66 -0.34 0.00 -0.77 0.00 0.00 57.85 55.23 1va4 n ARG 111 Cb 0.51 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.37 1va4 n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1va4 s VAL 112 N -1.65 3.75 -0.09 1.55 1.01 0.10 -0.98 120.40 124.08 1va4 s VAL 112 Ca 0.35 -0.41 0.15 0.00 0.00 0.00 0.00 61.98 62.07 1va4 s VAL 112 Cb 0.20 -2.64 -0.22 0.00 0.00 0.00 0.00 36.38 33.72 1va4 s VAL 112 CO 0.28 0.49 0.57 0.00 0.00 0.00 0.00 175.10 176.44 1va4 n ALA 113 N 3.61 1.64 -3.62 5.51 0.00 0.71 -4.77 120.51 123.59 1va4 n ALA 113 Ca -0.17 -0.83 -0.04 0.00 0.00 0.00 0.00 53.44 52.40 1va4 n ALA 113 Cb 0.52 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 1va4 n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1va4 s GLY 114 N -5.10 -0.35 -0.02 0.00 0.00 -1.18 -4.28 107.32 96.39 1va4 s GLY 114 Ca -0.05 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.53 1va4 s GLY 114 CO 0.83 0.25 -0.04 -2.27 0.00 0.00 0.00 173.10 171.86 1va4 s LEU 115 N -2.64 1.71 -0.09 0.66 2.96 -0.36 -1.33 118.68 119.58 1va4 s LEU 115 Ca 0.10 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 1va4 s LEU 115 Cb 0.00 -0.30 0.01 0.00 0.50 0.00 0.00 46.19 46.40 1va4 s LEU 115 CO -0.04 0.01 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.12 1va4 s VAL 116 N 0.31 1.71 -0.28 1.68 1.01 0.11 -0.97 120.40 123.99 1va4 s VAL 116 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1va4 s VAL 116 Cb -0.07 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1va4 s VAL 116 CO -0.00 0.48 -0.06 -0.76 0.00 0.00 0.00 175.10 174.76 1va4 s LEU 117 N 0.57 3.61 -0.25 3.92 1.43 -0.16 -1.53 118.68 126.26 1va4 s LEU 117 Ca -0.15 -1.27 -0.06 0.00 -1.03 0.00 0.00 54.13 51.62 1va4 s LEU 117 Cb -0.17 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1va4 s LEU 117 CO 0.05 -0.21 0.03 -0.76 0.23 0.00 0.00 176.35 175.69 1va4 s LEU 118 N 1.20 3.32 -1.51 1.79 1.43 0.10 -1.03 118.68 123.98 1va4 s LEU 118 Ca -0.06 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 1va4 s LEU 118 Cb -0.19 -1.84 0.16 0.00 0.03 0.00 0.00 46.19 44.34 1va4 s LEU 118 CO -0.03 -0.06 0.56 0.61 0.23 0.00 0.00 176.35 177.65 1va4 n GLY 119 N 4.86 -0.44 3.84 -3.19 0.00 -0.28 -0.68 105.19 109.31 1va4 n GLY 119 Ca -0.17 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1va4 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va4 s ALA 120 N -3.05 3.19 -1.15 4.61 0.00 -1.26 -3.08 121.76 121.01 1va4 s ALA 120 Ca 0.64 0.17 0.20 0.00 0.00 0.00 0.00 51.96 52.97 1va4 s ALA 120 Cb -0.36 -2.95 0.91 0.00 0.00 0.00 0.00 23.12 20.71 1va4 s ALA 120 CO 0.79 0.15 1.63 1.33 0.00 0.00 0.00 175.76 179.66 1va4 n VAL 121 N -0.73 0.55 -1.97 0.00 0.24 -1.05 -4.23 118.33 111.15 1va4 n VAL 121 Ca 0.05 0.14 -0.37 0.00 -2.04 0.00 0.00 64.34 62.12 1va4 n VAL 121 Cb 0.54 -0.80 0.03 0.00 -1.47 0.00 0.00 33.84 32.14 1va4 n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1va4 s THR 122 N -2.85 2.50 -1.16 3.34 -4.23 -1.26 -2.14 115.64 109.84 1va4 s THR 122 Ca 0.13 0.34 0.26 0.00 -1.18 0.00 0.00 61.69 61.25 1va4 s THR 122 Cb 0.13 -3.16 0.13 0.00 1.34 0.00 0.00 72.50 70.95 1va4 s THR 122 CO 0.34 -0.04 1.58 -0.81 -0.54 0.00 0.00 174.62 175.16 1va4 n PRO 123 N -1.24 0.18 -3.64 3.99 -0.04 -1.26 -3.62 135.00 129.37 1va4 n PRO 123 Ca 0.12 -0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.41 1va4 n PRO 123 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 1va4 n PRO 123 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1va4 s LEU 124 N -2.88 -0.41 -0.07 1.53 2.96 -0.91 -0.08 118.68 118.82 1va4 s LEU 124 Ca 0.15 0.78 -0.10 0.00 -0.22 0.00 0.00 54.13 54.74 1va4 s LEU 124 Cb 0.18 1.78 -0.03 0.00 0.50 0.00 0.00 46.19 48.62 1va4 s LEU 124 CO 0.62 -0.13 -0.19 0.33 -1.32 0.00 0.00 176.35 175.65 1va4 n PHE 125 N 2.34 0.00 -1.87 5.38 -0.00 -1.22 -4.63 117.46 117.46 1va4 n PHE 125 Ca -0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.02 1va4 n PHE 125 Cb 0.56 -0.28 0.04 0.00 -0.00 0.00 0.00 39.48 39.81 1va4 n PHE 125 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1va4 s GLY 126 N -4.40 1.63 0.49 7.13 0.00 -0.94 -1.44 107.32 109.78 1va4 s GLY 126 Ca -0.16 -0.32 -0.23 0.00 0.00 0.00 0.00 44.72 44.01 1va4 s GLY 126 CO 0.24 0.05 1.31 1.20 0.00 0.00 0.00 173.10 175.90 1va4 s GLN 127 N -5.34 3.51 0.31 2.90 -0.21 -0.00 -4.44 119.66 116.39 1va4 s GLN 127 Ca 0.58 2.14 0.03 0.00 0.02 0.00 0.00 55.36 58.13 1va4 s GLN 127 Cb -0.11 -2.44 -0.06 0.00 1.00 0.00 0.00 33.01 31.40 1va4 s GLN 127 CO 0.52 -0.87 0.07 0.15 -2.12 0.00 0.00 175.29 173.04 1va4 s LYS 128 N -2.67 1.60 0.36 2.91 -0.14 -1.10 -4.89 119.74 115.81 1va4 s LYS 128 Ca 0.66 -1.89 0.06 0.00 -1.36 0.00 0.00 55.97 53.44 1va4 s LYS 128 Cb -0.38 -0.72 0.75 0.00 -1.68 0.00 0.00 37.83 35.80 1va4 s LYS 128 CO 0.46 -0.22 1.94 -1.35 -0.76 0.00 0.00 175.35 175.43 1va4 h PRO 129 N 2.17 0.73 -0.63 -1.68 0.11 -2.02 -0.11 132.00 130.58 1va4 h PRO 129 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1va4 h PRO 129 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1va4 h PRO 129 CO 0.67 0.48 0.00 -0.40 -0.21 0.00 0.00 178.00 178.55 1va4 n ASP 130 N -4.49 3.63 -3.12 -2.05 3.85 -1.26 -4.41 116.55 108.71 1va4 n ASP 130 Ca 0.12 -2.15 -0.19 0.00 -0.71 0.00 0.00 54.79 51.86 1va4 n ASP 130 Cb 0.26 -0.46 -0.03 0.00 -1.35 0.00 0.00 41.12 39.54 1va4 n ASP 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1va4 n TYR 131 N 1.16 0.92 0.28 2.11 9.36 -0.06 -4.92 117.16 126.02 1va4 n TYR 131 Ca 0.21 -3.80 0.16 0.00 3.32 0.00 0.00 57.90 57.79 1va4 n TYR 131 Cb 0.62 -0.43 0.79 0.00 -0.63 0.00 0.00 39.34 39.69 1va4 n TYR 131 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1va4 h PRO 132 N 2.99 0.00 0.00 2.98 0.13 -1.75 -2.01 132.00 134.34 1va4 h PRO 132 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1va4 h PRO 132 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1va4 h PRO 132 CO 0.56 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.33 1va4 n GLN 133 N -2.67 0.22 -0.63 0.86 0.00 -1.26 -4.83 117.38 109.07 1va4 n GLN 133 Ca -0.01 0.36 -0.30 0.00 0.00 0.00 0.00 57.00 57.05 1va4 n GLN 133 Cb 0.14 -1.85 0.27 0.00 0.00 0.00 0.00 30.24 28.79 1va4 n GLN 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1va4 s GLY 134 N -3.56 1.48 -0.07 2.61 0.00 -0.77 -4.95 107.32 102.06 1va4 s GLY 134 Ca 0.06 -0.86 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 1va4 s GLY 134 CO 0.46 0.10 0.94 0.14 0.00 0.00 0.00 173.10 174.74 1va4 s VAL 135 N -2.54 4.86 0.33 1.40 1.01 -0.52 -4.35 120.40 120.58 1va4 s VAL 135 Ca 0.70 1.93 -0.29 0.00 0.00 0.00 0.00 61.98 64.32 1va4 s VAL 135 Cb -0.12 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.87 1va4 s VAL 135 CO 0.57 0.10 1.37 -2.65 0.00 0.00 0.00 175.10 174.49 1va4 n PRO 136 N 4.46 2.26 0.24 2.72 -0.02 -1.26 -0.82 135.00 142.58 1va4 n PRO 136 Ca 0.06 0.80 0.06 0.00 -2.02 0.00 0.00 63.50 62.40 1va4 n PRO 136 Cb 0.50 -2.43 0.56 0.00 -0.02 0.00 0.00 33.50 32.10 1va4 n PRO 136 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1va4 h LEU 137 N 3.07 0.00 -0.73 2.45 4.07 -1.93 -1.88 115.31 120.37 1va4 h LEU 137 Ca -0.47 -0.00 0.18 0.00 0.08 0.00 0.00 57.88 57.67 1va4 h LEU 137 Cb 1.27 -0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.87 1va4 h LEU 137 CO 0.66 0.11 -0.05 0.47 -1.08 0.00 0.00 178.44 178.55 1va4 n ASP 138 N -4.41 -0.14 -0.16 -0.43 9.92 -1.26 -0.51 116.55 119.56 1va4 n ASP 138 Ca -0.03 1.24 -0.08 0.00 -0.53 0.00 0.00 54.79 55.40 1va4 n ASP 138 Cb 0.18 -0.43 0.01 0.00 -0.64 0.00 0.00 41.12 40.24 1va4 n ASP 138 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1va4 h VAL 139 N 0.00 1.17 0.05 2.53 2.07 -1.70 -2.06 116.25 118.31 1va4 h VAL 139 Ca 0.41 -0.43 -0.24 0.00 0.82 0.00 0.00 66.70 67.26 1va4 h VAL 139 Cb 0.79 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1va4 h VAL 139 CO -0.71 0.18 -1.05 -0.26 0.02 0.00 0.00 177.57 175.75 1va4 h PHE 140 N 0.60 0.52 -0.95 1.57 0.04 -1.34 -2.35 116.94 115.02 1va4 h PHE 140 Ca 0.16 -0.32 0.08 0.00 2.80 0.00 0.00 57.97 60.69 1va4 h PHE 140 Cb 0.06 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 1va4 h PHE 140 CO -0.02 1.17 0.62 0.00 -0.60 0.00 0.00 178.31 179.48 1va4 h ALA 141 N 0.71 1.49 -0.38 2.45 0.00 -0.76 -1.86 119.26 120.92 1va4 h ALA 141 Ca -0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1va4 h ALA 141 Cb 1.72 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1va4 h ALA 141 CO 0.17 0.35 -0.00 -0.09 0.00 0.00 0.00 179.25 179.68 1va4 h ARG 142 N 1.06 0.67 -0.67 0.00 2.43 -1.20 -0.83 114.38 115.84 1va4 h ARG 142 Ca 0.42 -0.21 0.14 0.00 -0.81 0.00 0.00 59.98 59.52 1va4 h ARG 142 Cb 0.26 -0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.63 1va4 h ARG 142 CO -0.18 0.77 -0.01 0.74 -1.51 0.00 0.00 179.97 179.78 1va4 h PHE 143 N 0.48 -0.07 -0.29 2.20 -1.00 -1.11 -0.91 116.94 116.23 1va4 h PHE 143 Ca 0.11 0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.84 1va4 h PHE 143 Cb 0.47 0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 1va4 h PHE 143 CO 0.04 -0.20 -0.17 0.87 -1.61 0.00 0.00 178.31 177.23 1va4 h LYS 144 N 0.10 0.63 -0.82 1.51 1.57 -1.03 0.67 116.57 119.21 1va4 h LYS 144 Ca 0.35 -0.29 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1va4 h LYS 144 Cb 0.59 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 1va4 h LYS 144 CO -0.59 0.88 0.51 0.00 -0.57 0.00 0.00 179.45 179.68 1va4 h THR 145 N 0.38 1.06 -0.21 -0.16 1.03 -0.80 -1.10 112.91 113.11 1va4 h THR 145 Ca 0.06 -0.33 -0.17 0.00 -0.01 0.00 0.00 66.41 65.97 1va4 h THR 145 Cb 0.71 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.82 1va4 h THR 145 CO 0.05 0.17 -0.52 -0.33 -0.01 0.00 0.00 175.52 174.89 1va4 h GLU 146 N 0.95 0.71 -0.75 0.00 5.08 -0.80 -2.95 114.58 116.82 1va4 h GLU 146 Ca 0.35 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1va4 h GLU 146 Cb 0.12 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1va4 h GLU 146 CO -0.15 1.11 0.42 -0.07 -1.00 0.00 0.00 179.01 179.32 1va4 h LEU 147 N 0.42 0.92 0.00 1.33 3.38 -0.68 -0.88 115.31 119.80 1va4 h LEU 147 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1va4 h LEU 147 Cb 1.13 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1va4 h LEU 147 CO 0.11 0.73 0.00 0.18 0.09 0.00 0.00 178.44 179.55 1va4 n LEU 148 N -4.37 0.00 -0.13 1.67 4.77 -0.43 -2.45 117.00 116.05 1va4 n LEU 148 Ca 0.08 0.33 -0.25 0.00 -0.03 0.00 0.00 56.01 56.14 1va4 n LEU 148 Cb 0.09 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.74 1va4 n LEU 148 CO 0.38 -0.06 -1.39 0.29 -1.33 0.00 0.00 177.39 175.28 1va4 n LYS 149 N -1.33 0.62 -2.90 3.23 5.02 -0.93 -4.97 118.16 116.89 1va4 n LYS 149 Ca 0.10 0.22 -0.02 0.00 -2.02 0.00 0.00 58.31 56.60 1va4 n LYS 149 Cb 0.22 -1.51 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1va4 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1va4 s ASP 150 N -7.08 -1.31 0.40 4.39 -1.08 -0.38 -5.02 116.67 106.59 1va4 s ASP 150 Ca -0.37 -1.20 0.13 0.00 -0.52 0.00 0.00 52.55 50.59 1va4 s ASP 150 Cb 0.12 1.70 0.82 0.00 -1.46 0.00 0.00 42.92 44.10 1va4 s ASP 150 CO 0.54 -0.09 1.89 0.08 0.52 0.00 0.00 175.17 178.12 1va4 h ARG 151 N 5.62 0.02 -0.09 4.34 0.11 -1.64 -2.35 114.38 120.38 1va4 h ARG 151 Ca 0.05 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 1va4 h ARG 151 Cb 1.15 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 1va4 h ARG 151 CO 0.02 0.31 0.03 0.00 0.10 0.00 0.00 179.97 180.43 1va4 h ALA 152 N 1.69 0.11 -0.12 0.08 0.00 -1.94 -0.80 119.26 118.29 1va4 h ALA 152 Ca -0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1va4 h ALA 152 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1va4 h ALA 152 CO 0.04 -0.28 -0.49 0.37 0.00 0.00 0.00 179.25 178.89 1va4 h GLN 153 N -0.04 0.31 -0.28 0.00 5.75 -1.96 -2.25 115.11 116.64 1va4 h GLN 153 Ca 0.03 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1va4 h GLN 153 Cb 0.21 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 1va4 h GLN 153 CO -0.00 0.74 0.04 0.35 -2.65 0.00 0.00 178.83 177.30 1va4 h PHE 154 N 0.25 0.05 -0.51 3.99 3.57 -1.09 -1.02 116.94 122.19 1va4 h PHE 154 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1va4 h PHE 154 Cb 0.96 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1va4 h PHE 154 CO 0.02 -0.00 0.27 0.82 -2.23 0.00 0.00 178.31 177.19 1va4 h ILE 155 N 0.13 1.18 -0.62 1.41 2.04 -0.92 -1.15 117.51 119.58 1va4 h ILE 155 Ca 0.13 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1va4 h ILE 155 Cb 0.15 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1va4 h ILE 155 CO -0.19 0.19 0.37 -1.28 0.00 0.00 0.00 178.15 177.24 1va4 h SER 156 N 0.67 0.75 0.84 1.72 0.87 -1.15 -2.44 113.55 114.82 1va4 h SER 156 Ca 0.18 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1va4 h SER 156 Cb 0.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1va4 h SER 156 CO -0.03 0.59 -0.44 0.44 -0.53 0.00 0.00 176.83 176.87 1va4 h ASP 157 N 0.84 0.00 0.78 6.23 3.32 -1.02 -2.92 116.42 123.64 1va4 h ASP 157 Ca 0.22 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1va4 h ASP 157 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1va4 h ASP 157 CO -0.04 0.44 -0.20 0.15 -1.72 0.00 0.00 179.24 177.86 1va4 h PHE 158 N 0.00 0.00 -0.97 4.55 3.04 -0.72 -3.23 116.94 119.61 1va4 h PHE 158 Ca -0.00 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.07 1va4 h PHE 158 Cb 0.98 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 39.40 1va4 h PHE 158 CO 0.00 0.20 0.59 -0.91 -2.02 0.00 0.00 178.31 176.17 1va4 h ASN 159 N 0.00 0.85 0.14 0.41 2.35 -1.32 -1.69 115.58 116.32 1va4 h ASN 159 Ca -0.00 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1va4 h ASN 159 Cb 0.64 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1va4 h ASN 159 CO 0.03 0.43 -0.07 0.00 -1.65 0.00 0.00 177.43 176.17 1va4 h ALA 160 N 1.54 -0.19 0.00 -0.83 0.00 -1.76 -1.34 119.26 116.67 1va4 h ALA 160 Ca 0.49 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1va4 h ALA 160 Cb 0.53 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1va4 h ALA 160 CO -0.28 -0.43 -0.34 -1.00 0.00 0.00 0.00 179.25 177.19 1va4 h PRO 161 N -0.55 0.00 -0.12 0.00 0.13 -1.76 0.32 132.00 130.02 1va4 h PRO 161 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1va4 h PRO 161 Cb 0.42 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 1va4 h PRO 161 CO 0.03 0.34 -0.01 0.35 -0.23 0.00 0.00 178.00 178.49 1va4 h PHE 162 N 0.00 0.23 -0.00 1.56 3.04 -1.19 -3.20 116.94 117.38 1va4 h PHE 162 Ca -0.00 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1va4 h PHE 162 Cb 0.80 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1va4 h PHE 162 CO 0.00 0.47 -0.34 0.66 -2.02 0.00 0.00 178.31 177.08 1va4 n TYR 163 N -4.78 0.00 -1.41 0.41 4.01 -0.52 -0.42 117.16 114.45 1va4 n TYR 163 Ca -0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.62 1va4 n TYR 163 Cb 0.21 -0.19 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 1va4 n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1va4 n GLY 164 N 1.41 0.66 0.23 2.72 0.00 -0.06 -4.69 105.19 105.46 1va4 n GLY 164 Ca 0.09 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.38 1va4 n GLY 164 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1va4 h ILE 165 N 0.00 1.20 0.00 -0.61 2.04 -1.30 0.25 117.51 119.09 1va4 h ILE 165 Ca -0.13 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1va4 h ILE 165 Cb 0.57 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1va4 h ILE 165 CO 0.18 0.28 0.00 -0.46 0.00 0.00 0.00 178.15 178.15 1va4 n ASN 166 N -4.22 0.00 -1.71 1.72 6.94 -1.25 -2.99 115.26 113.76 1va4 n ASN 166 Ca -0.01 0.47 -0.15 0.00 -0.02 0.00 0.00 54.58 54.87 1va4 n ASN 166 Cb 0.31 -0.48 0.07 0.00 -2.36 0.00 0.00 39.78 37.31 1va4 n ASN 166 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1va4 n LYS 167 N -1.48 2.95 -1.00 -3.83 5.02 -0.01 -4.99 118.16 114.82 1va4 n LYS 167 Ca 0.04 -3.88 0.00 0.00 -2.02 0.00 0.00 58.31 52.45 1va4 n LYS 167 Cb 0.18 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 1va4 n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1va4 n GLY 168 N -0.78 0.94 3.77 0.72 0.00 -1.14 -5.03 105.19 103.67 1va4 n GLY 168 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1va4 n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1va4 s GLN 169 N -0.01 3.30 -0.23 1.61 -1.52 -0.70 -5.00 119.66 117.11 1va4 s GLN 169 Ca 0.00 1.60 -0.02 0.00 -1.95 0.00 0.00 55.36 54.99 1va4 s GLN 169 Cb 0.00 -2.00 0.02 0.00 -0.22 0.00 0.00 33.01 30.81 1va4 s GLN 169 CO 0.00 -0.89 -0.07 0.08 -0.25 0.00 0.00 175.29 174.16 1va4 s VAL 170 N -1.81 2.94 -0.02 1.09 1.01 -1.26 -4.34 120.40 118.01 1va4 s VAL 170 Ca 0.73 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1va4 s VAL 170 Cb -0.24 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1va4 s VAL 170 CO 0.28 0.29 -0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1va4 s VAL 171 N 1.37 0.41 0.75 2.92 1.01 -1.26 -4.96 120.40 120.63 1va4 s VAL 171 Ca 0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 1va4 s VAL 171 Cb -0.16 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.87 1va4 s VAL 171 CO -0.05 0.15 1.11 -0.94 0.00 0.00 0.00 175.10 175.37 1va4 s SER 172 N 0.38 4.56 0.38 3.32 1.04 -1.26 -4.89 113.70 117.23 1va4 s SER 172 Ca -0.04 1.93 0.09 0.00 0.48 0.00 0.00 55.95 58.41 1va4 s SER 172 Cb -0.08 -2.54 0.85 0.00 0.10 0.00 0.00 66.02 64.36 1va4 s SER 172 CO -0.00 -2.00 1.94 1.56 0.98 0.00 0.00 173.24 175.72 1va4 h GLN 173 N -0.78 0.61 -0.44 4.02 4.20 -2.01 -2.41 115.11 118.30 1va4 h GLN 173 Ca -0.45 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 1va4 h GLN 173 Cb 1.24 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1va4 h GLN 173 CO 0.51 0.40 0.17 0.78 -0.67 0.00 0.00 178.83 180.03 1va4 h GLY 174 N 0.63 0.72 1.03 3.46 0.00 -1.99 -0.22 103.07 106.69 1va4 h GLY 174 Ca 0.34 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1va4 h GLY 174 CO -0.12 0.37 0.29 -2.08 0.00 0.00 0.00 176.54 175.00 1va4 h VAL 175 N 0.57 1.25 -0.72 4.60 2.07 -1.86 0.30 116.25 122.47 1va4 h VAL 175 Ca 0.15 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1va4 h VAL 175 Cb 0.20 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1va4 h VAL 175 CO -0.01 0.32 0.33 1.56 0.02 0.00 0.00 177.57 179.79 1va4 h GLN 176 N 1.04 1.05 -0.31 1.57 4.20 -1.11 -0.76 115.11 120.79 1va4 h GLN 176 Ca 0.24 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1va4 h GLN 176 Cb 0.21 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1va4 h GLN 176 CO -0.02 0.83 0.07 1.15 -0.67 0.00 0.00 178.83 180.19 1va4 h THR 177 N 1.01 1.22 -0.84 -0.54 2.02 -0.83 -2.26 112.91 112.69 1va4 h THR 177 Ca 0.25 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 1va4 h THR 177 Cb 0.14 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1va4 h THR 177 CO -0.03 0.25 0.46 -0.61 0.37 0.00 0.00 175.52 175.96 1va4 h GLN 178 N 0.34 1.17 -0.22 6.66 4.15 -0.70 0.30 115.11 126.80 1va4 h GLN 178 Ca 0.10 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.39 1va4 h GLN 178 Cb 0.31 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1va4 h GLN 178 CO 0.00 0.86 0.13 1.15 -1.93 0.00 0.00 178.83 179.04 1va4 h THR 179 N 1.17 1.03 -0.48 2.39 2.02 -1.04 -1.22 112.91 116.77 1va4 h THR 179 Ca 0.30 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 1va4 h THR 179 Cb 0.03 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1va4 h THR 179 CO -0.05 0.05 0.17 0.25 0.37 0.00 0.00 175.52 176.32 1va4 h LEU 180 N 0.27 0.68 -0.29 2.58 5.85 -1.15 -1.41 115.31 121.84 1va4 h LEU 180 Ca 0.09 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1va4 h LEU 180 Cb -0.01 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1va4 h LEU 180 CO -0.04 0.68 0.12 -0.61 -0.34 0.00 0.00 178.44 178.25 1va4 h GLN 181 N 0.64 0.25 -0.09 1.25 4.15 -0.74 -1.36 115.11 119.21 1va4 h GLN 181 Ca 0.16 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 1va4 h GLN 181 Cb 0.23 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1va4 h GLN 181 CO -0.01 0.17 0.04 0.82 -1.93 0.00 0.00 178.83 177.91 1va4 h ILE 182 N 0.26 1.13 -0.81 2.39 2.04 -1.16 -2.92 117.51 118.43 1va4 h ILE 182 Ca 0.13 -0.37 0.13 0.00 1.00 0.00 0.00 64.86 65.74 1va4 h ILE 182 Cb 0.08 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1va4 h ILE 182 CO -0.12 0.11 0.53 0.00 0.00 0.00 0.00 178.15 178.67 1va4 h ALA 183 N 0.90 1.89 0.00 1.87 0.00 -0.95 -2.40 119.26 120.57 1va4 h ALA 183 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1va4 h ALA 183 Cb 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1va4 h ALA 183 CO -0.00 -0.09 -0.08 -0.07 0.00 0.00 0.00 179.25 179.01 1va4 h LEU 184 N 0.62 0.00 -1.66 0.00 3.38 -1.07 -2.44 115.31 114.14 1va4 h LEU 184 Ca 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 1va4 h LEU 184 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1va4 h LEU 184 CO -0.15 0.08 -0.06 -0.07 0.09 0.00 0.00 178.44 178.33 1va4 h LEU 185 N 0.00 0.13-10.32 1.67 3.38 -1.33 -3.46 115.31 105.39 1va4 h LEU 185 Ca -0.00 -0.02 -0.50 0.00 0.09 0.00 0.00 57.88 57.45 1va4 h LEU 185 Cb 0.62 -0.03 0.14 0.00 0.09 0.00 0.00 40.66 41.48 1va4 h LEU 185 CO 0.01 0.21 0.28 0.00 0.09 0.00 0.00 178.44 179.04 1va4 s ALA 186 N -4.89 1.92 0.24 1.53 0.00 -0.92 -4.54 121.76 115.10 1va4 s ALA 186 Ca -0.05 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 1va4 s ALA 186 Cb 0.16 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1va4 s ALA 186 CO 0.70 -2.07 1.20 0.45 0.00 0.00 0.00 175.76 176.04 1va4 s SER 187 N -3.34 7.07 0.22 0.00 0.15 0.14 -4.96 113.70 112.98 1va4 s SER 187 Ca 0.62 2.34 -0.09 0.00 0.70 0.00 0.00 55.95 59.53 1va4 s SER 187 Cb -0.18 -2.62 0.17 0.00 -1.71 0.00 0.00 66.02 61.68 1va4 s SER 187 CO 0.57 -0.34 1.86 0.25 1.20 0.00 0.00 173.24 176.77 1va4 h LEU 188 N 4.50 0.98 0.02 3.45 5.85 -1.95 -0.92 115.31 127.24 1va4 h LEU 188 Ca -0.46 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 1va4 h LEU 188 Cb 1.22 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1va4 h LEU 188 CO 0.71 0.76 -0.01 0.50 -0.34 0.00 0.00 178.44 180.07 1va4 h LYS 189 N 1.11 -0.02 -0.81 1.25 1.63 -1.96 -1.44 116.57 116.34 1va4 h LYS 189 Ca 0.29 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 1va4 h LYS 189 Cb -0.03 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 1va4 h LYS 189 CO -0.05 0.06 0.42 0.00 -3.45 0.00 0.00 179.45 176.42 1va4 h ALA 190 N 0.89 1.21 -0.43 5.00 0.00 -1.84 -0.24 119.26 123.84 1va4 h ALA 190 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1va4 h ALA 190 Cb 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1va4 h ALA 190 CO 0.00 0.62 0.27 1.15 0.00 0.00 0.00 179.25 181.30 1va4 h THR 191 N 1.14 1.08 -0.08 0.00 2.02 -0.84 0.22 112.91 116.45 1va4 h THR 191 Ca 0.28 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.18 1va4 h THR 191 Cb 0.07 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1va4 h THR 191 CO -0.04 0.10 -0.30 0.58 0.37 0.00 0.00 175.52 176.23 1va4 h VAL 192 N 0.55 1.41 -0.67 3.16 2.07 -1.07 -3.17 116.25 118.53 1va4 h VAL 192 Ca 0.17 -1.68 0.07 0.00 0.82 0.00 0.00 66.70 66.07 1va4 h VAL 192 Cb -0.03 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1va4 h VAL 192 CO -0.06 0.49 0.44 0.44 0.02 0.00 0.00 177.57 178.90 1va4 h ASP 193 N -0.13 0.58 -0.19 0.57 5.19 -0.96 -1.73 116.42 119.75 1va4 h ASP 193 Ca -0.02 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1va4 h ASP 193 Cb 0.94 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1va4 h ASP 193 CO 0.06 0.37 0.10 0.00 -3.12 0.00 0.00 179.24 176.65 1va4 h VAL 195 N 0.32 1.13 -0.39 0.00 2.07 -1.31 0.64 116.25 118.71 1va4 h VAL 195 Ca 0.08 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1va4 h VAL 195 Cb 0.06 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1va4 h VAL 195 CO -0.01 0.11 0.01 0.74 0.02 0.00 0.00 177.57 178.44 1va4 h THR 196 N 0.00 0.71 0.48 2.57 2.02 -1.25 0.93 112.91 118.38 1va4 h THR 196 Ca 0.03 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1va4 h THR 196 Cb 0.15 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1va4 h THR 196 CO -0.00 0.02 -0.30 0.00 0.37 0.00 0.00 175.52 175.60 1va4 h ALA 197 N 1.34 -0.76 0.00 6.16 0.00 -0.57 -2.57 119.26 122.85 1va4 h ALA 197 Ca 0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1va4 h ALA 197 Cb 0.27 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1va4 h ALA 197 CO -0.31 -0.94 -0.35 0.27 0.00 0.00 0.00 179.25 177.91 1va4 h PHE 198 N -0.75 0.00 -0.48 0.00 -5.15 -0.83 -2.40 116.94 107.33 1va4 h PHE 198 Ca -0.05 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.65 1va4 h PHE 198 Cb 0.62 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.77 1va4 h PHE 198 CO -0.10 0.35 0.03 0.00 -2.00 0.00 0.00 178.31 176.60 1va4 h ALA 199 N 1.65 1.16 0.00 12.09 0.00 -0.77 -3.39 119.26 130.00 1va4 h ALA 199 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1va4 h ALA 199 Cb 1.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1va4 h ALA 199 CO 0.05 0.55 0.00 0.39 0.00 0.00 0.00 179.25 180.24 1va4 n GLU 200 N -4.24 5.25 -3.03 0.00 1.02 -0.98 -2.23 120.64 116.44 1va4 n GLU 200 Ca 0.03 -0.08 -0.40 0.00 -0.02 0.00 0.00 57.16 56.69 1va4 n GLU 200 Cb 0.27 -0.55 -0.05 0.00 -0.02 0.00 0.00 31.44 31.09 1va4 n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1va4 s THR 201 N -0.77 5.04 -0.30 2.62 2.01 -0.91 -5.02 115.64 118.31 1va4 s THR 201 Ca 0.00 1.47 -0.10 0.00 0.31 0.00 0.00 61.69 63.37 1va4 s THR 201 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1va4 s THR 201 CO 0.00 0.25 0.15 -0.62 -0.69 0.00 0.00 174.62 173.71 1va4 s ASP 202 N 0.80 5.59 -0.07 3.53 -1.08 -1.26 -4.54 116.67 119.64 1va4 s ASP 202 Ca 0.38 -0.38 0.19 0.00 -0.52 0.00 0.00 52.55 52.21 1va4 s ASP 202 Cb -0.18 -2.02 0.64 0.00 -1.46 0.00 0.00 42.92 39.91 1va4 s ASP 202 CO 0.19 -0.15 1.55 0.49 0.52 0.00 0.00 175.17 177.77 1va4 n PHE 203 N 4.99 1.18 -0.27 -5.34 3.72 0.88 -4.54 117.46 118.09 1va4 n PHE 203 Ca -0.14 -0.58 -0.07 0.00 -0.05 0.00 0.00 57.45 56.61 1va4 n PHE 203 Cb 0.50 -0.14 0.05 0.00 -0.94 0.00 0.00 39.48 38.95 1va4 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1va4 h ARG 204 N 3.81 1.16 -0.97 -1.08 3.08 -1.89 -1.90 114.38 116.60 1va4 h ARG 204 Ca 0.00 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 59.83 1va4 h ARG 204 Cb 1.22 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 1va4 h ARG 204 CO 0.13 1.00 0.63 -1.35 -1.07 0.00 0.00 179.97 179.31 1va4 h PRO 205 N 1.11 1.16 -0.91 0.04 0.11 -1.92 -2.19 132.00 129.40 1va4 h PRO 205 Ca 0.24 -0.07 0.08 0.00 0.11 0.00 0.00 66.00 66.35 1va4 h PRO 205 Cb 0.34 -0.26 -0.06 0.00 0.11 0.00 0.00 31.00 31.12 1va4 h PRO 205 CO -0.00 0.77 0.59 -0.44 -0.21 0.00 0.00 178.00 178.71 1va4 h ASP 206 N 1.20 0.89 -0.89 -2.05 5.19 -1.71 -2.79 116.42 116.26 1va4 h ASP 206 Ca 0.39 0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.88 1va4 h ASP 206 Cb 0.05 -0.17 -0.06 0.00 0.18 0.00 0.00 39.33 39.32 1va4 h ASP 206 CO -0.13 0.55 0.58 0.24 -3.12 0.00 0.00 179.24 177.36 1va4 h MET 207 N 1.00 0.98 0.00 3.56 2.86 -0.69 -0.97 114.93 121.66 1va4 h MET 207 Ca 0.40 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1va4 h MET 207 Cb 0.27 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1va4 h MET 207 CO -0.16 0.65 -0.01 0.00 1.06 0.00 0.00 176.91 178.44 1va4 h ALA 208 N 1.52 1.00 -0.00 6.32 0.00 -1.55 -2.94 119.26 123.61 1va4 h ALA 208 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1va4 h ALA 208 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1va4 h ALA 208 CO -0.14 0.01 -0.19 1.63 0.00 0.00 0.00 179.25 180.56 1va4 n LYS 209 N -3.10 0.69 -2.86 0.00 4.76 -0.38 -4.82 118.16 112.45 1va4 n LYS 209 Ca 0.01 -0.32 -0.43 0.00 -2.87 0.00 0.00 58.31 54.70 1va4 n LYS 209 Cb 0.36 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.01 1va4 n LYS 209 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1va4 s ILE 210 N -2.53 4.49 -0.19 -0.18 1.01 -1.11 -4.84 121.20 117.84 1va4 s ILE 210 Ca 0.26 0.54 0.13 0.00 0.00 0.00 0.00 60.65 61.57 1va4 s ILE 210 Cb 0.20 -4.44 0.43 0.00 0.01 0.00 0.00 42.46 38.65 1va4 s ILE 210 CO 0.51 -0.89 1.21 -0.90 0.00 0.00 0.00 174.94 174.86 1va4 n ASP 211 N 7.16 2.03 -4.38 3.58 5.75 -1.26 -4.48 116.55 124.94 1va4 n ASP 211 Ca 0.04 -3.55 -0.22 0.00 -0.01 0.00 0.00 54.79 51.05 1va4 n ASP 211 Cb 0.48 -0.47 -0.11 0.00 -1.03 0.00 0.00 41.12 39.99 1va4 n ASP 211 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1va4 s VAL 212 N -2.95 2.03 0.22 2.12 -7.23 -1.26 -5.11 120.40 108.21 1va4 s VAL 212 Ca 0.39 -2.10 -0.31 0.00 -1.81 0.00 0.00 61.98 58.14 1va4 s VAL 212 Cb 0.38 -2.03 -0.15 0.00 0.56 0.00 0.00 36.38 35.14 1va4 s VAL 212 CO -0.07 -0.36 1.20 -2.65 -0.31 0.00 0.00 175.10 172.91 1va4 n PRO 213 N -0.05 1.47 -3.83 4.82 -0.02 -1.26 -4.77 135.00 131.36 1va4 n PRO 213 Ca -0.10 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1va4 n PRO 213 Cb 0.58 -2.04 -0.15 0.00 -0.02 0.00 0.00 33.50 31.88 1va4 n PRO 213 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1va4 s THR 214 N -0.35 -0.02 -0.13 3.45 2.01 -1.26 -1.22 115.64 118.12 1va4 s THR 214 Ca 0.68 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.78 1va4 s THR 214 Cb -0.76 -0.06 0.01 0.00 0.01 0.00 0.00 72.50 71.70 1va4 s THR 214 CO 0.53 0.03 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.08 1va4 s LEU 215 N 0.40 1.95 -0.19 4.42 2.96 -0.14 -0.90 118.68 127.18 1va4 s LEU 215 Ca -0.03 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.28 1va4 s LEU 215 Cb -0.05 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1va4 s LEU 215 CO -0.01 0.05 0.03 -0.69 -1.32 0.00 0.00 176.35 174.41 1va4 s VAL 216 N 0.89 4.35 -0.02 1.68 1.01 0.40 -0.99 120.40 127.72 1va4 s VAL 216 Ca -0.07 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1va4 s VAL 216 Cb -0.15 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1va4 s VAL 216 CO -0.02 0.44 -0.23 -0.63 0.00 0.00 0.00 175.10 174.67 1va4 s ILE 217 N 0.70 1.79 -0.11 2.22 1.01 -0.20 -0.55 121.20 126.05 1va4 s ILE 217 Ca 0.01 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.45 1va4 s ILE 217 Cb -0.14 -1.48 0.06 0.00 0.01 0.00 0.00 42.46 40.91 1va4 s ILE 217 CO 0.02 0.50 0.60 -2.28 0.00 0.00 0.00 174.94 173.78 1va4 s HIS 218 N -0.49 -0.59 0.05 3.97 2.46 -0.89 -1.12 115.29 118.68 1va4 s HIS 218 Ca 0.08 1.19 -0.24 0.00 0.47 0.00 0.00 55.06 56.56 1va4 s HIS 218 Cb -0.09 0.29 -0.06 0.00 -0.13 0.00 0.00 32.58 32.59 1va4 s HIS 218 CO -0.01 -0.47 0.72 0.20 -2.47 0.00 0.00 174.74 172.72 1va4 s GLY 219 N -0.64 2.76 0.00 1.59 0.00 -1.26 -1.23 107.32 108.54 1va4 s GLY 219 Ca -0.07 0.23 0.13 0.00 0.00 0.00 0.00 44.72 45.00 1va4 s GLY 219 CO 0.06 0.97 1.33 2.09 0.00 0.00 0.00 173.10 177.54 1va4 n ASP 220 N 2.60 1.57 -1.20 1.64 5.68 -1.09 -2.95 116.55 122.80 1va4 n ASP 220 Ca -0.04 -1.90 0.10 0.00 -0.50 0.00 0.00 54.79 52.45 1va4 n ASP 220 Cb 0.50 -0.17 0.29 0.00 -1.14 0.00 0.00 41.12 40.60 1va4 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1va4 n GLY 221 N 1.01 2.60 3.62 6.12 0.00 -0.61 -4.76 105.19 113.18 1va4 n GLY 221 Ca 0.12 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1va4 n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1va4 s ASP 222 N -1.00 5.97 0.00 1.61 -1.08 -0.95 -4.58 116.67 116.63 1va4 s ASP 222 Ca 0.43 1.87 0.27 0.00 -0.52 0.00 0.00 52.55 54.60 1va4 s ASP 222 Cb 0.23 -2.52 0.95 0.00 -1.46 0.00 0.00 42.92 40.12 1va4 s ASP 222 CO 0.28 -1.55 1.69 0.00 0.52 0.00 0.00 175.17 176.11 1va4 n GLN 223 N 8.17 0.72 -0.11 4.34 6.02 -1.26 -4.38 117.38 130.88 1va4 n GLN 223 Ca 0.24 -0.35 -0.20 0.00 -0.01 0.00 0.00 57.00 56.67 1va4 n GLN 223 Cb 0.45 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.15 1va4 n GLN 223 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1va4 n ILE 224 N -0.83 1.39 -3.94 5.09 2.08 -1.26 -4.87 119.36 117.02 1va4 n ILE 224 Ca 0.13 -0.16 -0.33 0.00 0.56 0.00 0.00 62.75 62.95 1va4 n ILE 224 Cb 0.32 -1.98 -0.14 0.00 -0.75 0.00 0.00 39.64 37.08 1va4 n ILE 224 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1va4 s VAL 225 N -2.57 2.61 0.02 1.39 1.01 -1.26 -5.07 120.40 116.52 1va4 s VAL 225 Ca -0.31 -2.23 -0.30 0.00 0.00 0.00 0.00 61.98 59.14 1va4 s VAL 225 Cb 0.10 -2.86 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 1va4 s VAL 225 CO 0.41 -0.61 1.72 -2.84 0.00 0.00 0.00 175.10 173.78 1va4 s PRO 226 N 0.99 4.18 0.24 2.72 0.02 -1.26 -4.80 135.00 137.09 1va4 s PRO 226 Ca 0.09 2.34 -0.04 0.00 0.02 0.00 0.00 61.00 63.41 1va4 s PRO 226 Cb -0.20 -3.84 0.44 0.00 0.02 0.00 0.00 34.50 30.91 1va4 s PRO 226 CO -0.07 -0.82 1.76 0.35 -0.33 0.00 0.00 177.00 177.89 1va4 h PHE 227 N 9.19 0.64 0.00 6.54 3.04 -1.81 -2.81 116.94 131.74 1va4 h PHE 227 Ca -0.43 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.54 1va4 h PHE 227 Cb 1.20 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.54 1va4 h PHE 227 CO 0.85 0.17 -0.09 0.93 -2.02 0.00 0.00 178.31 178.14 1va4 h GLU 228 N 0.56 0.00 -0.06 1.11 4.39 -1.94 -2.01 114.58 116.63 1va4 h GLU 228 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1va4 h GLU 228 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1va4 h GLU 228 CO -0.34 0.09 0.00 0.25 -1.16 0.00 0.00 179.01 177.85 1va4 n THR 229 N -3.94 0.18 0.00 1.13 -2.24 -1.12 -4.43 114.28 103.86 1va4 n THR 229 Ca -0.02 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1va4 n THR 229 Cb 0.18 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1va4 n THR 229 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1va4 n THR 230 N 0.51 0.00 -0.29 4.28 -2.24 -1.04 -4.60 114.28 110.90 1va4 n THR 230 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 1va4 n THR 230 Cb 0.27 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.77 1va4 n THR 230 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1va4 h GLY 231 N 0.00 1.39 0.90 3.38 0.00 -1.60 0.16 103.07 107.31 1va4 h GLY 231 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.22 1va4 h GLY 231 CO 0.00 -0.23 0.50 1.70 0.00 0.00 0.00 176.54 178.51 1va4 h LYS 232 N 0.39 0.95 -0.03 4.80 3.64 -1.64 -1.07 116.57 123.60 1va4 h LYS 232 Ca 0.52 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.72 1va4 h LYS 232 Cb 0.94 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1va4 h LYS 232 CO -0.51 0.63 -0.43 0.28 -2.27 0.00 0.00 179.45 177.15 1va4 h VAL 233 N 0.98 1.44 -0.73 2.00 2.07 -1.02 -3.25 116.25 117.74 1va4 h VAL 233 Ca 0.30 -1.91 0.11 0.00 0.82 0.00 0.00 66.70 66.03 1va4 h VAL 233 Cb -0.02 2.50 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 1va4 h VAL 233 CO -0.10 0.55 0.34 0.00 0.02 0.00 0.00 177.57 178.38 1va4 h ALA 234 N 0.36 1.03 0.00 1.67 0.00 -0.65 -0.97 119.26 120.69 1va4 h ALA 234 Ca -0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1va4 h ALA 234 Cb 1.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1va4 h ALA 234 CO 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.18 1va4 h ALA 235 N 1.48 1.79 0.17 0.00 0.00 -1.23 -1.95 119.26 119.51 1va4 h ALA 235 Ca 0.38 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.93 1va4 h ALA 235 Cb 0.48 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1va4 h ALA 235 CO -0.32 0.06 -1.43 0.93 0.00 0.00 0.00 179.25 178.49 1va4 h GLU 236 N 0.00 0.35 0.00 0.00 4.39 -1.30 -3.36 114.58 114.65 1va4 h GLU 236 Ca -0.00 -0.60 -0.10 0.00 0.34 0.00 0.00 59.36 59.01 1va4 h GLU 236 Cb 0.10 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1va4 h GLU 236 CO 0.01 1.26 -0.45 -0.07 -1.16 0.00 0.00 179.01 178.59 1va4 h LEU 237 N 0.10 0.00 -8.91 1.33 3.38 -0.83 -3.42 115.31 106.96 1va4 h LEU 237 Ca -0.22 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.13 1va4 h LEU 237 Cb 2.05 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.67 1va4 h LEU 237 CO 0.21 0.45 -0.03 -0.63 0.09 0.00 0.00 178.44 178.53 1va4 s ILE 238 N -3.41 5.05 0.13 1.22 1.01 -0.77 -4.53 121.20 119.91 1va4 s ILE 238 Ca 0.01 0.71 -0.33 0.00 0.00 0.00 0.00 60.65 61.04 1va4 s ILE 238 Cb 0.10 -3.87 -0.13 0.00 0.01 0.00 0.00 42.46 38.58 1va4 s ILE 238 CO 0.71 -0.01 1.67 1.17 0.00 0.00 0.00 174.94 178.49 1va4 n LYS 239 N 5.61 2.31 -0.59 2.79 4.81 -1.26 -2.21 118.16 129.62 1va4 n LYS 239 Ca -0.04 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1va4 n LYS 239 Cb 0.50 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.90 1va4 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1va4 n GLY 240 N 3.73 1.76 3.76 3.14 0.00 -1.26 -4.89 105.19 111.42 1va4 n GLY 240 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1va4 n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va4 s ALA 241 N -3.56 2.97 -0.07 4.61 0.00 -0.94 -4.70 121.76 120.07 1va4 s ALA 241 Ca 0.00 1.34 -0.05 0.00 0.00 0.00 0.00 51.96 53.25 1va4 s ALA 241 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1va4 s ALA 241 CO 0.00 -1.25 0.16 -2.00 0.00 0.00 0.00 175.76 172.66 1va4 s GLU 242 N -2.73 3.43 -0.13 0.00 2.12 -0.08 -4.96 118.70 116.35 1va4 s GLU 242 Ca 0.67 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1va4 s GLU 242 Cb -0.40 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1va4 s GLU 242 CO 0.49 0.73 -0.14 -1.17 -0.54 0.00 0.00 175.26 174.64 1va4 s LEU 243 N -1.43 2.65 -0.10 2.70 2.96 -1.26 -0.45 118.68 123.74 1va4 s LEU 243 Ca 0.20 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1va4 s LEU 243 Cb -0.12 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 1va4 s LEU 243 CO 0.11 0.15 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.52 1va4 s LYS 244 N 0.43 3.08 -0.21 1.98 1.02 0.29 -4.98 119.74 121.35 1va4 s LYS 244 Ca -0.10 -0.86 -0.04 0.00 0.02 0.00 0.00 55.97 54.98 1va4 s LYS 244 Cb -0.16 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1va4 s LYS 244 CO 0.05 0.18 -0.04 0.08 -0.92 0.00 0.00 175.35 174.70 1va4 s VAL 245 N 0.36 3.47 -0.35 3.17 1.01 -1.26 -2.10 120.40 124.70 1va4 s VAL 245 Ca -0.18 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 1va4 s VAL 245 Cb -0.18 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1va4 s VAL 245 CO 0.08 0.43 0.74 -0.31 0.00 0.00 0.00 175.10 176.04 1va4 s TYR 246 N 1.31 3.14 0.12 5.22 1.51 -0.36 -4.97 117.35 123.32 1va4 s TYR 246 Ca 0.04 0.55 -0.31 0.00 -1.01 0.00 0.00 57.07 56.33 1va4 s TYR 246 Cb -0.14 -3.29 -0.10 0.00 -0.11 0.00 0.00 41.96 38.32 1va4 s TYR 246 CO -0.02 -0.67 1.77 0.21 -1.11 0.00 0.00 175.55 175.73 1va4 s LYS 247 N 2.96 4.15 -0.21 -0.62 2.20 -1.26 -2.16 119.74 124.79 1va4 s LYS 247 Ca 0.29 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 1va4 s LYS 247 Cb -0.14 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1va4 s LYS 247 CO 0.15 -0.80 0.00 -0.25 -0.36 0.00 0.00 175.35 174.09 1va4 n ASP 248 N 5.46 -4.28 -4.77 1.43 10.43 -1.26 -4.91 116.55 118.64 1va4 n ASP 248 Ca 0.17 0.05 -0.35 0.00 2.57 0.00 0.00 54.79 57.23 1va4 n ASP 248 Cb 0.38 -2.80 0.02 0.00 1.84 0.00 0.00 41.12 40.57 1va4 n ASP 248 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1va4 s ALA 249 N -0.93 2.61 0.76 2.24 0.00 -0.92 -4.11 121.76 121.41 1va4 s ALA 249 Ca 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 1va4 s ALA 249 Cb 0.00 -3.38 0.09 0.00 0.00 0.00 0.00 23.12 19.83 1va4 s ALA 249 CO 0.00 -0.96 0.55 -0.35 0.00 0.00 0.00 175.76 174.99 1va4 n PRO 250 N -1.58 -0.14 -0.15 0.00 -0.04 -1.26 -1.57 135.00 130.25 1va4 n PRO 250 Ca 0.12 -1.15 -0.08 0.00 -0.04 0.00 0.00 63.50 62.35 1va4 n PRO 250 Cb 0.51 -0.47 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 1va4 n PRO 250 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1va4 h HIS 251 N -0.90 0.66 -0.11 0.54 -0.00 -1.78 -3.30 115.15 110.26 1va4 h HIS 251 Ca -0.18 -0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.04 1va4 h HIS 251 Cb 0.57 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.74 1va4 h HIS 251 CO 0.00 0.54 -0.02 0.41 -0.00 0.00 0.00 177.93 178.85 1va4 n GLY 252 N -0.88 2.92 0.05 5.26 0.00 0.44 -4.57 105.19 108.41 1va4 n GLY 252 Ca 0.01 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.61 1va4 n GLY 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1va4 n PHE 253 N 1.57 0.37 0.27 1.61 1.16 -1.24 -1.84 117.46 119.35 1va4 n PHE 253 Ca 0.17 0.13 0.15 0.00 -1.87 0.00 0.00 57.45 56.02 1va4 n PHE 253 Cb 0.62 -0.70 0.77 0.00 -1.61 0.00 0.00 39.48 38.55 1va4 n PHE 253 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1va4 h ALA 254 N 2.59 1.14 0.00 1.98 0.00 -1.87 0.22 119.26 123.32 1va4 h ALA 254 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1va4 h ALA 254 Cb 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1va4 h ALA 254 CO 0.00 0.11 -1.07 -0.39 0.00 0.00 0.00 179.25 177.90 1va4 h VAL 255 N 0.00 0.85 0.00 0.00 -1.51 -1.74 -3.30 116.25 110.55 1va4 h VAL 255 Ca -0.00 -2.03 -0.06 0.00 -1.23 0.00 0.00 66.70 63.38 1va4 h VAL 255 Cb 0.37 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1va4 h VAL 255 CO 0.01 0.29 -0.29 0.71 -1.23 0.00 0.00 177.57 177.06 1va4 h THR 256 N -1.00 0.86 -0.45 7.19 1.35 -1.48 -3.15 112.91 116.23 1va4 h THR 256 Ca -0.28 -1.14 -0.33 0.00 -0.55 0.00 0.00 66.41 64.11 1va4 h THR 256 Cb 1.17 1.69 -0.34 0.00 -1.73 0.00 0.00 68.15 68.94 1va4 h THR 256 CO -0.17 0.28 -0.86 1.41 -0.25 0.00 0.00 175.52 175.94 1va4 n HIS 257 N -3.69 1.58 -0.10 4.73 -0.00 0.06 -4.91 115.22 112.90 1va4 n HIS 257 Ca -0.01 -1.89 -0.06 0.00 -0.00 0.00 0.00 57.72 55.76 1va4 n HIS 257 Cb 0.40 -0.28 0.01 0.00 -0.00 0.00 0.00 29.99 30.13 1va4 n HIS 257 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1va4 h ALA 258 N 1.95 0.33 -0.42 -1.41 0.00 -1.55 -1.15 119.26 117.00 1va4 h ALA 258 Ca 0.11 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1va4 h ALA 258 Cb 1.41 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1va4 h ALA 258 CO 0.41 -0.38 0.04 0.37 0.00 0.00 0.00 179.25 179.69 1va4 h GLN 259 N 0.13 0.72 -0.72 0.00 4.15 -1.89 0.35 115.11 117.85 1va4 h GLN 259 Ca 0.17 -0.21 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1va4 h GLN 259 Cb 0.21 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 1va4 h GLN 259 CO -0.26 0.77 0.46 0.37 -1.93 0.00 0.00 178.83 178.25 1va4 h GLN 260 N 0.57 0.89 -0.39 1.69 4.15 -1.90 -1.75 115.11 118.37 1va4 h GLN 260 Ca 0.12 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1va4 h GLN 260 Cb 0.42 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1va4 h GLN 260 CO 0.01 0.59 0.03 1.25 -1.93 0.00 0.00 178.83 178.78 1va4 h LEU 261 N 0.92 0.65 -0.49 -2.39 5.85 -0.97 -0.88 115.31 118.00 1va4 h LEU 261 Ca 0.28 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1va4 h LEU 261 Cb -0.03 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 1va4 h LEU 261 CO -0.09 0.78 0.18 0.78 -0.34 0.00 0.00 178.44 179.74 1va4 h ASN 262 N 0.50 0.19 -0.26 1.25 2.35 -0.59 0.42 115.58 119.43 1va4 h ASN 262 Ca 0.11 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.80 1va4 h ASN 262 Cb 0.43 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1va4 h ASN 262 CO 0.01 0.13 -0.28 -0.33 -1.65 0.00 0.00 177.43 175.31 1va4 h GLU 263 N 0.36 0.76 -0.45 0.81 5.08 -1.16 -1.44 114.58 118.53 1va4 h GLU 263 Ca 0.23 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1va4 h GLU 263 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1va4 h GLU 263 CO -0.24 0.96 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.13 1va4 h ASP 264 N 0.65 0.87 -0.46 1.42 3.32 -0.68 -1.76 116.42 119.79 1va4 h ASP 264 Ca 0.08 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1va4 h ASP 264 Cb 0.81 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1va4 h ASP 264 CO 0.07 1.02 0.15 -0.07 -1.72 0.00 0.00 179.24 178.69 1va4 h LEU 265 N 0.77 0.66 -0.45 1.55 3.38 -0.78 -1.78 115.31 118.66 1va4 h LEU 265 Ca 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1va4 h LEU 265 Cb 0.69 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1va4 h LEU 265 CO 0.05 0.68 0.15 0.25 0.09 0.00 0.00 178.44 179.67 1va4 h LEU 266 N 0.60 0.64 -1.16 1.67 5.85 -1.10 -1.41 115.31 120.40 1va4 h LEU 266 Ca 0.15 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1va4 h LEU 266 Cb 0.25 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1va4 h LEU 266 CO -0.01 0.66 0.39 0.00 -0.34 0.00 0.00 178.44 179.15 1va4 h ALA 267 N 1.00 1.36 -0.18 1.25 0.00 -1.27 -0.85 119.26 120.57 1va4 h ALA 267 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1va4 h ALA 267 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1va4 h ALA 267 CO -0.01 0.53 0.08 0.35 0.00 0.00 0.00 179.25 180.20 1va4 h PHE 268 N 0.98 0.27 -0.45 0.00 3.57 -1.05 -1.89 116.94 118.37 1va4 h PHE 268 Ca 0.25 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1va4 h PHE 268 Cb 0.02 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1va4 h PHE 268 CO 0.01 0.31 0.14 -0.07 -2.23 0.00 0.00 178.31 176.46 1va4 h LEU 269 N 0.15 0.60 -0.48 0.59 3.38 -0.86 -2.64 115.31 116.05 1va4 h LEU 269 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1va4 h LEU 269 Cb 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1va4 h LEU 269 CO -0.01 0.58 -0.09 0.29 0.09 0.00 0.00 178.44 179.31 1va4 n LYS 270 N -4.33 1.07 0.00 1.13 5.02 -0.36 -5.11 118.16 115.58 1va4 n LYS 270 Ca 0.03 -0.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1va4 n LYS 270 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1va4 n LYS 270 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75